Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)
TL;DR: Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) (CAS 2961-75-3) is a chemical compound with molecular formula C12H20O5 and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2,5-dione;2,2,4-trimethylpentane-1,3-diol
Also Known As: Trimethylpentanediol, maleic anhydride polymer, (C8-H18-O2.C4-H2-O3)x-, 2,5-Furandione, polymer with 2,2,4-trimethyl-1,3-pentanediol, furan-2,5-dione; 2,2,4-trimethylpentane-1,3-diol, furan-2,5-dione- 2,2,4-trimethylpentane-1,3-diol(1:1)
| Molecular Formula | C12H20O5 |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 0.6478 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.13107 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 2961-75-3 |
|---|---|
| SMILES | CC(C)C(C(C)(C)CO)O.C1=CC(=O)OC1=O |
| InChIKey | MAEZZXANDAUHKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) (CAS 2961-75-3), with molecular formula C12H20O5 and molecular weight 244.13 g/mol. IUPAC: furan-2,5-dione;2,2,4-trimethylpentane-1,3-diol.
Chemical Property Profile of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)
Property Insights of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)
The XLogP value of 0.6478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1). The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1). Following Lipinski's Rule of Five, Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)?
The CAS number of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) is 2961-75-3.
What is the molecular formula of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)?
The molecular formula of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) is C12H20O5.
What is the molecular weight of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)?
The molecular weight of Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) is 244.13 g/mol.
Where can I buy Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)?
You can request a quote for Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Furan-2,5-dione--2,2,4-trimethylpentane-1,3-diol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.